5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

C13H20BrN3O2 — CID 66310293

IUPAC5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H20BrN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyKOIUVNOARVOBAE-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.42
Rot. Bonds3

About 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one

5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 66310293) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID66310293
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H20BrN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyKOIUVNOARVOBAE-UHFFFAOYSA-N
XLogP1.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 66310293) is 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CC1CN(C(C)C)CCO1.
What is the InChIKey of 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is KOIUVNOARVOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-9(2)16-4-5-19-11(7-16)8-17-10(3)15-6-12(14)13(17)18/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one?
5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 330.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66310293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).